[1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol

C10H12ClF2N3O — CID 121204087

IUPAC[1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol
SMILESCc1nc(Cl)cc(N2CC(F)(F)CC2CO)n1
InChIInChI=1S/C10H12ClF2N3O/c1-6-14-8(11)2-9(15-6)16-5-10(12,13)3-7(16)4-17/h2,7,17H,3-5H2,1H3
InChIKeyXISKOMBQHFLXKQ-UHFFFAOYSA-N
MW263.67 g/mol
LogP1.64
Rot. Bonds2

About [1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol

[1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol (PubChem CID 121204087) has the molecular formula C10H12ClF2N3O and a molecular weight of 263.67 g/mol. Its IUPAC name is [1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol
PubChem CID121204087
Molecular FormulaC10H12ClF2N3O
Molecular Weight263.67 g/mol
Exact Mass263.06
IUPAC Name[1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol
SMILESCc1nc(Cl)cc(N2CC(F)(F)CC2CO)n1
InChIInChI=1S/C10H12ClF2N3O/c1-6-14-8(11)2-9(15-6)16-5-10(12,13)3-7(16)4-17/h2,7,17H,3-5H2,1H3
InChIKeyXISKOMBQHFLXKQ-UHFFFAOYSA-N
XLogP1.64
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-(2-Amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl)methanol
CID 76877854
(1S,4S)-5-(6-chloro-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 117688550
(3S,5R)-1-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]-5-ethylpyrrolidin-3-ol
CID 117688674
(3S,5R)-1-[6-chloro-2-(2,2-difluoro-3-methylcyclopropyl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-ol
CID 117688706
(3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 124681432
(2S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 145433357
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 146218435
(2S)-2-[[6-chloro-2-(3,3-difluorocyclobutyl)pyrimidin-4-yl]-methylamino]-3-methylbutan-1-ol
CID 152877406
[2-(2,6-Dichloropyrimidin-4-yl)-4-fluoro-2-azabicyclo[2.1.1]hexan-1-yl]methanol
CID 156704493
(1S,4S)-5-[6-chloro-2-(2,2-difluoro-3-methylcyclopropyl)pyrimidin-4-yl]-2-oxonia-5-azabicyclo[2.2.1]heptane
CID 164106017
[2-(6-Chloro-2-methoxypyrimidin-4-yl)-4-(difluoromethyl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol
CID 167344110
1-[2-(2-Aminoethenyl)-6-chloropyrimidin-4-yl]-4,4-difluoropyrrolidin-3-ol
CID 173980056

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol (CID 121204087) is [1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol is Cc1nc(Cl)cc(N2CC(F)(F)CC2CO)n1.
What is the InChIKey of [1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
The InChIKey is XISKOMBQHFLXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N3O/c1-6-14-8(11)2-9(15-6)16-5-10(12,13)3-7(16)4-17/h2,7,17H,3-5H2,1H3.
What are the key properties of [1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
[1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol has a molecular weight of 263.67 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 121204087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).